SCHEMBL4497432

SCHEMBL4497432

COC(=O)[C@H]1CCCCC[C@H]1NCCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SLC6A2 P23975 2/20 0.40
CNR2 P34972 1/20 0.39
EPHX1 P07099 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
SLC6A4 P31645 1/20 0.37
KDM1A O60341 3/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
FKBP1A P62942 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4497438 1.00 ALDH1A1 (0.40) ALDH1A1SLC6A2CNR2EPHX1TAS1R3
SCHEMBL4497435 1.00 ALDH1A1 (0.40) ALDH1A1SLC6A2CNR2EPHX1TAS1R3
SCHEMBL4501708 0.83 SSTR3 (0.46) ALDH1A1SLC6A2CNR2EPHX1TAS1R3
SCHEMBL4501704 0.83 SSTR3 (0.46) ALDH1A1SLC6A2CNR2EPHX1TAS1R3
SCHEMBL4487983 0.83 SSTR3 (0.46) ALDH1A1SLC6A2CNR2EPHX1TAS1R3
SCHEMBL4487986 0.83 SSTR3 (0.46) ALDH1A1SLC6A2CNR2EPHX1TAS1R3
SCHEMBL4501706 0.83 SSTR3 (0.46) ALDH1A1SLC6A2CNR2EPHX1TAS1R3
SCHEMBL4487988 0.83 SSTR3 (0.46) ALDH1A1SLC6A2CNR2EPHX1TAS1R3
SCHEMBL4485200 0.82 TAS1R3 (0.40) ALDH1A1TAS1R3TAS1R1KDM4ESMN1; SMN2
SCHEMBL4489932 0.82 TAS1R3 (0.40) ALDH1A1TAS1R3TAS1R1KDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS ALDH1A1 417/4885SLC6A2 4237/4885CNR2 493/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.